Chem
J-GLOBAL ID：200907096715072405   Nikkaji number：J1.150.564C

(5Z,7E)-26,26,26,27,27,27-Hexafluoro-(1-3H)-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol

(5Z,7E)-26,26,26,27,27,27-ヘキサフルオロ-(1-3H)-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H37[3H]F6O3
Molecular formula furigana： C27-H38-F6-O3
Molecular weight： 526.596
InChI： InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1/i23T
InChI key： XPYGGHVSFMUHLH-SSSUAJMBSA-N
SMILES： [C@@]1([3H])(O)C[C@H](O)C/C(=C/C=C/2\CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)CCCC(O)(C(F)(F)F)C(F)(F)F)/C1=C
Systematic name  (3)：
  • (5Z,7E)-26,26,26,27,27,27-ヘキサフルオロ-(1-3H)-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-メチル-1-[(2R)-7,7,7-トリフルオロ-6-ヒドロキシ-6-(トリフルオロメチル)ヘプタン-2-イル]-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-4-メチリデン(3-3H)シクロヘキサン-1,3-ジオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidene(3-3H)cyclohexane-1,3-diol
Other name (1)：
  • (5Z,7E)-26,26,26,27,27,27-Hexafluoro-(1-3H)-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol
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